6-bromo-4-chloro-8-fluoro-3-nitroquinoline

C9H3BrClFN2O2 — CID 102614128

IUPAC6-bromo-4-chloro-8-fluoro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2c(F)cc(Br)cc2c1Cl
InChIInChI=1S/C9H3BrClFN2O2/c10-4-1-5-8(11)7(14(15)16)3-13-9(5)6(12)2-4/h1-3H
InChIKeyXNXQLNFWNNFGRQ-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.70
Rot. Bonds1

About 6-bromo-4-chloro-8-fluoro-3-nitroquinoline

6-bromo-4-chloro-8-fluoro-3-nitroquinoline (PubChem CID 102614128) has the molecular formula C9H3BrClFN2O2 and a molecular weight of 305.49 g/mol. Its IUPAC name is 6-bromo-4-chloro-8-fluoro-3-nitroquinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-8-fluoro-3-nitroquinoline
PubChem CID102614128
Molecular FormulaC9H3BrClFN2O2
Molecular Weight305.49 g/mol
Exact Mass303.91
IUPAC Name6-bromo-4-chloro-8-fluoro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2c(F)cc(Br)cc2c1Cl
InChIInChI=1S/C9H3BrClFN2O2/c10-4-1-5-8(11)7(14(15)16)3-13-9(5)6(12)2-4/h1-3H
InChIKeyXNXQLNFWNNFGRQ-UHFFFAOYSA-N
XLogP3.70
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-8-fluoro-3-nitroquinoline?
The IUPAC name of 6-bromo-4-chloro-8-fluoro-3-nitroquinoline (CID 102614128) is 6-bromo-4-chloro-8-fluoro-3-nitroquinoline.
What is the SMILES notation for 6-bromo-4-chloro-8-fluoro-3-nitroquinoline?
The canonical SMILES for 6-bromo-4-chloro-8-fluoro-3-nitroquinoline is O=[N+]([O-])c1cnc2c(F)cc(Br)cc2c1Cl.
What is the InChIKey of 6-bromo-4-chloro-8-fluoro-3-nitroquinoline?
The InChIKey is XNXQLNFWNNFGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClFN2O2/c10-4-1-5-8(11)7(14(15)16)3-13-9(5)6(12)2-4/h1-3H.
What are the key properties of 6-bromo-4-chloro-8-fluoro-3-nitroquinoline?
6-bromo-4-chloro-8-fluoro-3-nitroquinoline has a molecular weight of 305.49 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-8-fluoro-3-nitroquinoline is sourced from PubChem (CID 102614128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).